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{
"id": "jvasp-123661",
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{
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"structure_string": "Se2 I1\n1.0\n1.877895 -3.684494 0.060882\n2.251920 3.900437 0.000000\n0.128752 -0.074335 5.766056\nSe I\n2 1\ndirect\n0.735762 0.701204 0.551050 Se\n0.264234 -0.034560 0.782284 Se\n-0.000000 0.333356 0.166667 I\n",
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{
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"created_at": "2022-09-04T14:38:35.321128Z",
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"structure_string": "Se8 N4 Cl12\n1.0\n7.672351 0.000000 -0.420417\n0.000000 8.744914 0.000000\n0.003891 0.000000 8.965000\nSe N Cl\n8 4 12\ndirect\n0.402385 0.531678 0.720181 Se\n0.097615 0.031678 0.279819 Se\n0.542477 0.115341 0.678234 Se\n0.957523 0.615340 0.321765 Se\n0.042477 0.384659 0.678234 Se\n0.597614 0.468321 0.279819 Se\n0.457523 0.884659 0.321766 Se\n0.902385 0.968321 0.720181 Se\n0.307281 0.000682 0.219140 N\n0.692718 -0.000682 0.780859 N\n0.192718 0.500682 0.780859 N\n0.807281 0.499318 0.219140 N\n0.793523 0.161930 0.484811 Cl\n0.206476 0.838070 0.515188 Cl\n0.171675 0.589315 0.160426 Cl\n0.510033 0.309530 0.097943 Cl\n0.328324 0.089316 0.839574 Cl\n0.828324 0.410684 0.839574 Cl\n0.010033 0.190470 0.097944 Cl\n0.671675 0.910684 0.160425 Cl\n0.706476 0.661929 0.515188 Cl\n0.989966 0.809529 0.902056 Cl\n0.489966 0.690470 0.902056 Cl\n0.293524 0.338070 0.484812 Cl\n",
"nsites": 24,
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"volume": 601.5124606191686,
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{
"id": "jvasp-123688",
"created_at": "2022-09-04T14:38:52.745697Z",
"updated_at": "2022-09-04T14:38:52.745721Z",
"structure_string": "Se2 O1\n1.0\n1.838572 -3.402694 0.029554\n2.027535 3.511792 0.000000\n0.034759 -0.020068 4.408377\nSe O\n2 1\ndirect\n0.746207 0.783059 0.473363 Se\n0.253792 0.036852 0.859971 Se\n-0.000000 0.180087 0.166667 O\n",
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"volume": 58.87243110142166,
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"formula_full": "Se2 O1",
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"spacegroup": 5
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{
"id": "jvasp-123705",
"created_at": "2022-09-04T14:38:54.929742Z",
"updated_at": "2022-09-04T14:38:54.929758Z",
"structure_string": "Se2 S1\n1.0\n1.981158 -3.665717 0.038563\n2.184027 3.782843 0.000000\n0.046135 -0.026636 4.935589\nSe S\n2 1\ndirect\n0.758161 0.772334 0.493257 Se\n0.241840 0.014173 0.840075 Se\n0.000000 0.213491 0.166667 S\n",
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"elements": [
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{
"id": "jvasp-22664",
"created_at": "2022-09-04T14:37:07.989677Z",
"updated_at": "2022-09-04T14:37:07.989699Z",
"structure_string": "Se4 Br4\n1.0\n4.075323 -0.077307 -0.000000\n-1.031978 3.943253 -0.000000\n0.000000 0.000000 14.938059\nSe Br\n4 4\ndirect\n0.686847 0.955995 0.550403 Se\n0.455996 0.186848 0.050403 Se\n0.186848 0.455996 0.949597 Se\n0.955995 0.686847 0.449597 Se\n0.932842 0.049511 0.831035 Br\n0.432842 0.549511 0.668965 Br\n0.049511 0.932842 0.168965 Br\n0.549511 0.432842 0.331035 Br\n",
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"volume": 238.8633057294825,
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"formula_full": "Se4 Br4",
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"spacegroup": 41
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{
"id": "jvasp-95416",
"created_at": "2022-09-04T14:36:00.378651Z",
"updated_at": "2022-09-04T14:36:00.378683Z",
"structure_string": "Se8 Br8\n1.0\n4.855045 0.106619 0.000000\n-0.738408 7.388688 0.000000\n0.000000 0.000000 14.091743\nSe Br\n8 8\ndirect\n0.100704 0.381355 0.136444 Se\n0.399295 0.618646 0.636444 Se\n0.899295 0.618646 0.863556 Se\n0.600704 0.381355 0.363556 Se\n0.828392 0.206222 0.038018 Se\n0.671606 0.793779 0.538018 Se\n0.171606 0.793779 0.961981 Se\n0.328393 0.206222 0.461982 Se\n0.863670 0.663523 0.145527 Br\n0.636328 0.336478 0.645527 Br\n0.136329 0.336478 0.854473 Br\n0.363670 0.663523 0.354473 Br\n0.493124 0.042985 0.147149 Br\n0.006875 0.957016 0.647149 Br\n0.506875 0.957016 0.852851 Br\n0.993123 0.042985 0.352851 Br\n",
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"density": 4.165692273143591,
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"volume": 506.6142402828404,
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"formula_full": "Se8 Br8",
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{
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"created_at": "2022-09-04T14:38:07.426950Z",
"updated_at": "2022-09-04T14:38:07.426975Z",
"structure_string": "Se2 Br4\n1.0\n7.588379 0.000000 0.000000\n-0.000000 7.588379 0.000000\n0.000000 0.000000 3.660556\nSe Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Se\n0.499999 0.499999 0.500003 Se\n0.322965 0.322965 0.000000 Br\n0.677035 0.677035 0.000000 Br\n0.822964 0.177035 0.500003 Br\n0.177035 0.822964 0.500003 Br\n",
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"formula_full": "Se2 Br4",
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"spacegroup": 136
},
{
"id": "jvasp-30468",
"created_at": "2022-09-04T14:37:57.562050Z",
"updated_at": "2022-09-04T14:37:57.562069Z",
"structure_string": "Se1 Br3\n1.0\n-1.993983 1.993983 7.082594\n1.993983 -1.993983 7.082594\n1.993983 1.993983 -7.082594\nSe Br\n1 3\ndirect\n0.000000 0.000000 0.000000 Se\n0.750000 0.250000 0.500000 Br\n0.250000 0.750000 0.500000 Br\n0.500000 0.500000 0.000000 Br\n",
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},
{
"id": "jvasp-90243",
"created_at": "2022-09-04T14:36:13.388540Z",
"updated_at": "2022-09-04T14:36:13.388570Z",
"structure_string": "Se1 Br6 N2\n1.0\n-5.011907 -5.011907 0.000000\n-5.011907 0.000000 -5.011907\n-0.000000 -5.011907 -5.011907\nSe Br N\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Se\n0.743537 0.256463 0.256463 Br\n0.743537 0.256463 0.743537 Br\n0.743537 0.743537 0.256463 Br\n0.256463 0.743537 0.743537 Br\n0.256463 0.743537 0.256463 Br\n0.256463 0.256463 0.743537 Br\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n",
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"formula_full": "Se1 Br6 N2",
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{
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"created_at": "2022-09-04T14:38:00.262996Z",
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"structure_string": "Se8 Cl8\n1.0\n4.761862 0.084093 0.000000\n-0.743733 7.109911 0.000000\n0.000000 0.000000 13.653589\nSe Cl\n8 8\ndirect\n0.092674 0.392603 0.140625 Se\n0.407327 0.607397 0.640625 Se\n0.907327 0.607397 0.859375 Se\n0.592673 0.392603 0.359375 Se\n0.813757 0.204089 0.042919 Se\n0.686243 0.795911 0.542919 Se\n0.186244 0.795911 0.957081 Se\n0.313757 0.204089 0.457081 Se\n0.872968 0.666057 0.146766 Cl\n0.627032 0.333943 0.646766 Cl\n0.127033 0.333943 0.853234 Cl\n0.372968 0.666057 0.353234 Cl\n0.492884 0.050117 0.147562 Cl\n0.007116 0.949883 0.647562 Cl\n0.507116 0.949883 0.852438 Cl\n0.992884 0.050116 0.352438 Cl\n",
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{
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}